SCHEMBL4022674

SCHEMBL4022674

O=C(NC1CCN(c2nccc3cc(Cl)ccc23)CC1)c1c(F)cc(F)cc1F

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 3/20 0.45
CDK2 P24941 3/20 0.45
CNR1 P21554 4/20 0.42
PAK1 Q13153 3/20 0.41
PDE4B Q07343 3/20 0.41
PDE4D Q08499 2/20 0.41
CNR2 P34972 3/20 0.40
GRIA1 P42261 1/20 0.40
DRD2 P14416 1/20 0.39
HTR2A P28223 1/20 0.39
DRD3 P35462 1/20 0.39
PDE4A P27815 1/20 0.39
PDE4C Q08493 1/20 0.39
MAP3K6 O95382 1/20 0.39
MAP3K5 Q99683 1/20 0.39
MALT1 Q9UDY8 2/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4016437 0.89 CCNE1 (0.49) CCNE1CDK2CNR1PAK1CNR2
SCHEMBL4023745 0.89 CNR1 (0.54) CCNE1CDK2CNR1PAK1CNR2
SCHEMBL4019718 0.87 CNR1 (0.47) CCNE1CDK2CNR1PAK1CNR2
SCHEMBL4016296 0.87 PAK1 (0.56) CCNE1CDK2CNR1PAK1CNR2
SCHEMBL4018112 0.87 DRD2 (0.44) CCNE1CDK2PAK1GRIA1DRD2
SCHEMBL4018132 0.86 CNR1 (0.53) CCNE1CDK2CNR1PAK1CNR2
SCHEMBL4018789 0.86 DRD2 (0.44) CCNE1CDK2CNR1PAK1PDE4B
SCHEMBL4018357 0.86 CNR1 (0.49) CCNE1CDK2CNR1PAK1CNR2
SCHEMBL4583304 0.85 CNR1 (0.53) CCNE1CDK2CNR1PAK1CNR2
SCHEMBL4023469 0.85 DRD2 (0.44) CCNE1CDK2CNR1PAK1PDE4B

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2066654-A1 N-(1-HETARYLPIPERIDIN-4-YL)(HET)ARYLAMIDES AS EP2 RECEPTOR MODULATORS Bayer Schering Pharma AG (DE) 2009-06-10 EP claimed
EP-1903038-A1 N-(1-hetaryl-piperidin-4-yl)-(het)arylamide as EP2 receptor modulators Bayer Schering Pharma Aktiengesellschaft (DE) 2008-03-26 EP claimed
WO-2008028691-A1 N-(1-HETARYLPIPERIDIN-4-YL)(HET)ARYLAMIDES AS EP2 RECEPTOR MODULATORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-03-13 WO claimed
EP-2066654-A1 N-(1-HETARYLPIPERIDIN-4-YL)(HET)ARYLAMIDES AS EP2 RECEPTOR MODULATORS Bayer Schering Pharma AG (DE) 2009-06-10 EP disclosed
EP-1903038-A1 N-(1-hetaryl-piperidin-4-yl)-(het)arylamide as EP2 receptor modulators Bayer Schering Pharma Aktiengesellschaft (DE) 2008-03-26 EP disclosed
WO-2008028691-A1 N-(1-HETARYLPIPERIDIN-4-YL)(HET)ARYLAMIDES AS EP2 RECEPTOR MODULATORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-03-13 WO disclosed